2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide

C24H25N5O3S — CID 22273375

IUPAC2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide
SMILESCC1CN(CC(=O)Nc2cccc3ncccc23)CC(C)N1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C24H25N5O3S/c1-17-14-28(16-24(30)27-23-10-4-9-22-21(23)8-5-11-26-22)15-18(2)29(17)33(31,32)20-7-3-6-19(12-20)13-25/h3-12,17-18H,14-16H2,1-2H3,(H,27,30)
InChIKeyFDTUZIURRDIEKS-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.83
Rot. Bonds5

About 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide

2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide (PubChem CID 22273375) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide
PubChem CID22273375
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide
SMILESCC1CN(CC(=O)Nc2cccc3ncccc23)CC(C)N1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C24H25N5O3S/c1-17-14-28(16-24(30)27-23-10-4-9-22-21(23)8-5-11-26-22)15-18(2)29(17)33(31,32)20-7-3-6-19(12-20)13-25/h3-12,17-18H,14-16H2,1-2H3,(H,27,30)
InChIKeyFDTUZIURRDIEKS-UHFFFAOYSA-N
XLogP2.83
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide (CID 22273375) is 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide is CC1CN(CC(=O)Nc2cccc3ncccc23)CC(C)N1S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
The InChIKey is FDTUZIURRDIEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-17-14-28(16-24(30)27-23-10-4-9-22-21(23)8-5-11-26-22)15-18(2)29(17)33(31,32)20-7-3-6-19(12-20)13-25/h3-12,17-18H,14-16H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide?
2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide has a molecular weight of 463.56 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 22273375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).